
 CHEMBL45085

101107  0  0  0  0  0  0  0  0999 V2000
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    9.5778   12.9545   -2.2642 H   0  0  0  0  0
    8.4900   11.6483   -2.7306 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL45085

>  <PubChem CID>
23277735

>  <Formula>
C42H46N6O7

>  <Molecular Weight>
746.865000

>  <IUPAC Name>


>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CN(C4=CC=CC=C43)C(=O)OC)NC(=O)CC5C(=O)N6C7CCC(C6C(=O)N5)CC7

>  <Isomeric SMILES>
CN(CC1=CC=CC=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CN(C4=CC=CC=C43)C(=O)OC)NC(=O)CC5C(=O)N6C7CCC(C6C(=O)N5)CC7

>  <InChI Std. ID>
InChI=1S/C42H46N6O7/c1-46(24-27-13-7-4-8-14-27)40(52)33(21-26-11-5-3-6-12-26)44-38(50)32(22-29-25-47(42(54)55-2)35-16-10-9-15-31(29)35)43-36(49)23-34-41(53)48-30-19-17-28(18-20-30)37(48)39(51)45-34/h3-16,25,28,30,32-34,37H,17-24H2,1-2H3,(H,43,49)(H,44,50)(H,45,51)

>  <InChI Key>
ALNKYQMLZWZRGR-UHFFFAOYSA-N

